3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one

C68H45N3OS — CID 142288749

About 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one

3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one (PubChem CID 142288749) has the molecular formula C68H45N3OS and a molecular weight of 952.20 g/mol. Its IUPAC name is 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one.

Molecular Properties

• Compound Name: 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one
• PubChem CID: 142288749
• Molecular Formula: C68H45N3OS
• Molecular Weight: 952.20 g/mol
• Exact Mass: 951.33
• IUPAC Name: 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one
• SMILES: O=C1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N6c7ccccc7Sc7ccccc76)ccc54)c3)ccc21
• InChI: InChI=1S/C68H45N3OS/c72-67-55-30-13-14-31-59(55)68(48-21-5-1-6-22-48,49-23-7-2-8-24-49)60-43-47(36-39-56(60)67)46-20-19-29-52(42-46)70-61-40-37-53(69(50-25-9-3-10-26-50)51-27-11-4-12-28-51)44-57(61)58-45-54(38-41-62(58)70)71-63-32-15-17-34-65(63)73-66-35-18-16-33-64(66)71/h1-45H
• InChIKey: OCWAJCHEHWBWAM-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 28.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.20
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one?

The IUPAC name of 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one (CID 142288749) is 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one.

What is the SMILES notation for 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one?

The canonical SMILES for 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one is O=C1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N6c7ccccc7Sc7ccccc76)ccc54)c3)ccc21.

What is the InChIKey of 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one?

The InChIKey is OCWAJCHEHWBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3OS/c72-67-55-30-13-14-31-59(55)68(48-21-5-1-6-22-48,49-23-7-2-8-24-49)60-43-47(36-39-56(60)67)46-20-19-29-52(42-46)70-61-40-37-53(69(50-25-9-3-10-26-50)51-27-11-4-12-28-51)44-57(61)58-45-54(38-41-62(58)70)71-63-32-15-17-34-65(63)73-66-35-18-16-33-64(66)71/h1-45H.

What are the key properties of 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one?

3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one has a molecular weight of 952.20 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one is sourced from PubChem (CID 142288749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).